tert-butyl 4-propylimidazole-1-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl 4-propylimidazole-1-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl 4-propylimidazole-1-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 4-propyl-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-propylimidazole-1-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 4-propylimidazole-1-carboxylic acid tert-butyl ester; tosylic acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C=N1)C(=O)OC(C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC1=CN(C=N1)C(=O)OC(C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H18N2O2.C7H8O3S/c1-5-6-9-7-13(8-12-9)10(14)15-11(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)